| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:03 UTC |
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| Update Date | 2025-03-21 18:40:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00131941 |
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| Frequency | 19.2 |
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| Structure | |
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| Chemical Formula | C11H14O5 |
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| Molecular Mass | 226.0841 |
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| SMILES | CCCCOC(=O)c1ccc(O)c(O)c1O |
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| InChI Key | QIAGEWZCOWVQFB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | m-hydroxybenzoic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids5-unsubstituted pyrrogallolsbenzoyl derivativescarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundssalicylic acid and derivativesvinylogous acidso-hydroxybenzoic acid estersp-hydroxybenzoic acid alkyl esters |
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| Substituents | p-hydroxybenzoic acid esterbenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic oxide5-unsubstituted pyrrogallolm-hydroxybenzoic acid esterpyrogallol derivativebenzenetriol1-hydroxy-4-unsubstituted benzenoidp-hydroxybenzoic acid alkyl esteraromatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativeso-hydroxybenzoic acid estercarboxylic acid esterphenolhydrocarbon derivativeorganooxygen compound |
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